chempirical

1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine

C42H82NO8PCAS 26853-31-6760.09 g/mol

Open in Covalent MOL file
OOOOOPOO−ON+
EsterPhosphate

Properties

Molecular formula
C42H82NO8P
Molar mass
760.09 g/mol
Exact mass
759.5778 Da
Melting point
−3 °C
logP
11.17Crippen estimate
Polar surface area
111.2 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
39

Identifiers

CAS number
26853-31-6
SMILES
CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIKey
WTJKGGKOPKCXLL-VYOBOKEXSA-N
InChI
InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

26 names · show all
  • 1-Palmitoyl-2-oleoyl-3-sn-phosphatidylcholine
  • 3,5,8-Trioxa-4-phosphahexacos-17-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide, (7R,17Z)-
  • Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1-palmito-2-olein, L-
  • 3,5,8-Trioxa-4-phosphahexacos-17-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, hydroxide, inner salt, 4-oxide, [R-(Z)]-
  • 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphorylcholine
  • 1-Palmitoyl-2-oleoyl-sn-glyceryl-3-phosphorylcholine
  • L-α-1-Palmitoyl-2-oleoylphosphatidylcholine
  • 1-Palmitoyl-2-oleyl-3-sn-phosphatidylcholine
  • 1-Palmitoyl-2-oleoyl-L-α-lecithin
  • 1-Palmitoyl-2-oleoyl-L-α-phosphatidylcholine
  • β-Oleoyl-γ-palmitoyl-L-α-phosphatidylcholine
  • 1-Palmitoyl-2-oleoylphosphatidylcholine
  • 1-Palmitoyl-2-oleoyl-sn-3-phosphocholine
  • POPC
  • Palmitoyloleoylphosphatidylcholine
  • 3,5,8-Trioxa-4-phosphahexacos-17-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide, [R-(Z)]-
  • 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine
  • 1-Palmitoyl-2-oleoyl-sn-glycerol-3-phosphatidylcholine
  • 1-Palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine
  • 1-Palmitoyl-2-oleoyl-sn-glycero-phosphocholine
  • 2-Oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine
  • 1-Palmitoyl-2-oleoyl-sn-glycerol-3-phosphocholine
  • 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
  • L-Palmitoyloleoylphosphatidylcholine
  • L-1-Palmitoyl-2-oleoylphosphatidylcholine
  • 1-Palmitoyl-2-oleoyl-phosphocholine

Work with 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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